Ab Initio Study of the Large Amplitude Motions of Various Monosubstituted Isotopologues of Methylamine (CH3-NH2)

Ab Initio Study of the Large Amplitude Motions of Various Monosubstituted Isotopologues of Methylamine (CH3-NH2)

CCSD(T)-F12 theory is applied to determine electronic ground state spectroscopic parameters of various isotopologues of methylamine (CH3-NH2) containing cosmological abundant elements, such as D, 13C and 15N. Special attention is given to the far infrared region. The studied isotopologues can be cla...

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Bibliographic Details
Main Authors: Muneerah Mogren Al-Mogren, María Luisa Senent
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-09-01
Series:Frontiers in Chemistry
Subjects:
methylamine
LAM
torsion
wagging
13CH3NH2
CH315NH2
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.751203/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2021.751203/full

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